2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (2Z,4E)-

Base Information

• Chemical Name: 2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (2Z,4E)-
• CAS No.: 53023-60-2
• Deprecated CAS: 95758-68-2
• Molecular Formula: C17H28O5
• Molecular Weight: 312.406
• European Community (EC) Number: 258-304-6
• DSSTox Substance ID: DTXSID80886026
• Mol file: 53023-60-2.mol

Synonyms:EINECS 258-304-6;2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (2Z,4E)-;53023-60-2;DTXSID80886026;(Z,E)-(+-)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioic acid;2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (Z,E)-;2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (Z,E)-(.+.)-;(Z,E)-(1)-4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioic acid

Chemical Property of 2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (2Z,4E)-

Chemical Property:

• Vapor Pressure: 9.59E-11mmHg at 25°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 312.19367399
• Heavy Atom Count: 22
• Complexity: 446

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(C)OC)CC=C(C(=CC(=O)O)C)C(=O)O
• Isomeric SMILES: CC(CCCC(C)(C)OC)C/C=C(\C(=C/C(=O)O)\C)/C(=O)O

Technology Process of 2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (2Z,4E)-

There total 2 articles about 2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (2Z,4E)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate (41264-06-6) → (Z,E)-(+/-)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioic acid (53023-60-2)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: NaOH / methanol

With sodium hydroxide; In methanol;

DOI:10.1021/jo00889a001

Reference yield:

3-methyl-2-pentene-1,5-diacid dimethyl (52313-87-8) + 7-methoxy-3,7-dimethyloctanal (3613-30-7) → (Z,E)-(+/-)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioic acid (53023-60-2)

Guidance literature:

With sodium hydroxide; In methanol;

DOI:10.1021/jo00889a001

upstream raw materials:

3-methyl-2-pentene-1,5-diacid dimethyl

7-methoxy-3,7-dimethyloctanal

methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

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